Monomers

Phosphonic acid, (1-bromoethenyl)-, diethyl ester

Identifiers

IUPAC name
1-bromo-1-diethoxyphosphorylethene
InchI
InChI=1S/C6H12BrO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3
InchI Key
SQMBBBWHQORDNI-UHFFFAOYSA-N
SMILES
CCOP(=O)(C(=C)Br)OCC
Canonical SMILES
CCOP(=O)(C(=C)Br)OCC
Isomeric SMILES
CCOP(=O)(C(=C)Br)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H12BrO3P
Heavy Atom Count
11
Molecular Weight
243.037
Exact Molecular Weight
241.9707
Valence Electrons
66
Radical Electrons
0
tPSA
35.53
MolLogP
3.1186
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.0972   -2.1635   -0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8854   -1.3707   -0.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5008   -0.5724    0.1718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1473    0.3739   -0.2010 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0929    0.7046   -1.6753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3367    1.9266    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9354    2.9505    0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3012    2.1682    2.4495 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2044   -0.4548    0.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3695    0.2969    0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5657   -0.4938    0.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3578   -2.9690   -1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8967   -2.6580    0.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9725   -1.4888   -0.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2321   -0.7612   -1.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1058   -2.0444   -1.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    3.9092    0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2982    2.8157   -0.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2428    1.1389    0.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.7177   -0.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3968    0.2126    0.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -1.1330   -0.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3351   -1.1053    1.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  7 17  1  0
  7 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers